5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole

C60H43N5 — CID 123889521

About 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole (PubChem CID 123889521) has the molecular formula C60H43N5 and a molecular weight of 834.04 g/mol. Its IUPAC name is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole.

Molecular Properties

• Compound Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole
• PubChem CID: 123889521
• Molecular Formula: C60H43N5
• Molecular Weight: 834.04 g/mol
• Exact Mass: 833.35
• IUPAC Name: 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole
• SMILES: CC1(C)C2=CC3C(C=C2c2ccccc21)c1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)cc1N3c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1
• InChI: InChI=1S/C60H43N5/c1-60(2)51-27-14-12-25-45(51)48-36-50-47-31-29-41(40-30-32-54-49(34-40)46-26-13-15-28-53(46)64(54)43-22-10-5-11-23-43)35-55(47)65(56(50)37-52(48)60)44-24-16-21-42(33-44)59-62-57(38-17-6-3-7-18-38)61-58(63-59)39-19-8-4-9-20-39/h3-37,50,56H,1-2H3
• InChIKey: ZKLAFAIETRMQMX-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	834.04
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole?

The IUPAC name of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole (CID 123889521) is 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole.

What is the SMILES notation for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole?

The canonical SMILES for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole is CC1(C)C2=CC3C(C=C2c2ccccc21)c1ccc(-c2ccc4c(c2)c2ccccc2n4-c2ccccc2)cc1N3c1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1.

What is the InChIKey of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole?

The InChIKey is ZKLAFAIETRMQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H43N5/c1-60(2)51-27-14-12-25-45(51)48-36-50-47-31-29-41(40-30-32-54-49(34-40)46-26-13-15-28-53(46)64(54)43-22-10-5-11-23-43)35-55(47)65(56(50)37-52(48)60)44-24-16-21-42(33-44)59-62-57(38-17-6-3-7-18-38)61-58(63-59)39-19-8-4-9-20-39/h3-37,50,56H,1-2H3.

What are the key properties of 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole?

5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole has a molecular weight of 834.04 g/mol, XLogP of 14.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethyl-3-(9-phenylcarbazol-3-yl)-5a,12a-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 123889521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).